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Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate
TL;DR: Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate (CAS 478030-58-9) is a chemical compound with molecular formula C13H11F3N2O3 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetate
Also Known As: ethyl 2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetate, ethyl 2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetate, Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate, Ethyl {3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetate, Ethyl 3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole-5-acetate
| Molecular Formula | C13H11F3N2O3 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.861 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07217 |
| Heavy Atoms | 21 |
| Complexity | 637.58685 |
Chemical Identifiers
| CAS Number | 478030-58-9 |
|---|---|
| SMILES | CCOC(=O)CC1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate (CAS 478030-58-9), with molecular formula C13H11F3N2O3 and molecular weight 300.07 g/mol. IUPAC: ethyl 2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetate.
Chemical Property Profile of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate
Property Insights of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate
The XLogP value of 2.861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate. Following Lipinski's Rule of Five, Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate?
The CAS number of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate is 478030-58-9.
What is the molecular formula of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate?
The molecular formula of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate is C13H11F3N2O3.
What is the molecular weight of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate?
The molecular weight of Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate is 300.07 g/mol.
Where can I buy Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate?
You can request a quote for Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.